<i>Ab initio</i>calculation of charge transfer cross sections in collisions

Abstract

We present calculations of state selected (vibrational and electronic) cross sections for single charge transfer in , and DT collisions in the energy range . Cross sections for transfer dissociation and vibrational excitation reactions are also presented. We have employed ab initio electronic wavefunctions of the triatomic system, the eikonal method to treat the ion-diatom relative motion, and the sudden approximation for vibration and rotation of the diatom.